benzene; 2-[oxidanyl(phenyl)methyl]-1,4-diazepane-1,4-dicarboxylate

Systemtic Name: benzene; 2-[oxidanyl(phenyl)methyl]-1,4-diazepane-1,4-dicarboxylate Openeye Name: benzene; 2-[hydroxy(phenyl)methyl]-1,4-diazepane-1,4-dicarboxylate CAS Name: benzene; 2-[hydroxy(phenyl)methyl]-1,4-diazepane-1,4-dicarboxylate IUPAC Name: benzene; 2-[hydroxy(phenyl)methyl]-1,4-diazepane-1,4-dicarboxylate Traditional Name: benzene; 2-[hydroxy(phenyl)methyl]-1,4-diazepane-1,4-dicarboxylate Formula: C20H22N2O5-2 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N(C1)C(=O)[O-])C(C2=CC=CC=C2)O)C(=O)[O-].C1=CC=CC=C1

Isomeric SMILES

C1CN(CC(N(C1)C(=O)[O-])C(C2=CC=CC=C2)O)C(=O)[O-].C1=CC=CC=C1

InChI

InChI=1S/C14H18N2O5.C6H6/c17-12(10-5-2-1-3-6-10)11-9-15(13(18)19)7-4-8-16(11)14(20)21;1-2-4-6-5-3-1/h1-3,5-6,11-12,17H,4,7-9H2,(H,18,19)(H,20,21);1-6H/p-2